1-[4-[1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[1-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]piperazino]-3-methyl-butan-1-one Formula: C25H37N3O2 MolecularWeight: 411.58018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C(C2CCCC2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C(C2CCCC2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H37N3O2/c1-19(2)17-23(29)26-13-15-27(16-14-26)24(21-8-4-5-9-21)25(30)28-12-11-20-7-3-6-10-22(20)18-28/h3,6-7,10,19,21,24H,4-5,8-9,11-18H2,1-2H3